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100347-77-1 | Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
CAS No: 100347-77-1 Catalog No: AG0001OA MDL No:
Product Description
Catalog Number:
AG0001OA
Chemical Name:
Benzoic acid, 4-(2-propen-1-yloxy)-3,5-dipropyl-, 2-hydroxyethyl ester
CAS Number:
100347-77-1
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
2-hydroxyethyl 4-prop-2-enoxy-3,5-dipropylbenzoate
InChI:
InChI=1S/C18H26O4/c1-4-7-14-12-16(18(20)22-11-9-19)13-15(8-5-2)17(14)21-10-6-3/h6,12-13,19H,3-5,7-11H2,1-2H3
InChI Key:
ONSRRKMXWGNSJK-UHFFFAOYSA-N
SMILES:
CCCc1cc(cc(c1OCC=C)CCC)C(=O)OCCO
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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